Bioorganic Chemistry Research Group
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Welcome to the Bioorganic Chemistry Research Group

The Bioorganic Chemistry group focus its activity on pursuing new insights in to our understanding of health related biological processes. With a wide experience on asymmetric organic synthesis the group is interested in the design and synthesis of small molecules for therapeutic application or their use in the elucidation of biological function. By combining a series of multidisciplin ary tools and techniques including in-house developed synthetic methodologies, computer-based molecular modelling (QM calculations, docking and Molecular Dynamics) and advanced spectroscopic techniques (i.e. STD-NMR), the main activity of the group concerns identification of small molecules as key modulators and/or inhibitors of target enzymes associated to specific biological functions. This approach provides target validation as well as starting points for further drug discovery.
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UDP-GlcNAc Analogs as Inhibitors of O-GlcNAc Transferase (OGT).  
Inside Cover
in Org. Biomol. Chem.
Review on Reactivity
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Cover Picture (Hot paper)
in Chem. Eur. J.
Congratulations Vero!
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Cover Picture (Editor`s choice) in
Chem. Biol. Drug Design
Congratulations Eduardo!
Posted March, 2018  

A series of glycomimetics of UDP-GlcNAc in which the β-phosphate has been replaced by either an alkyl chain or a triazolyl ring and the sugar moiety has been replaced by a pyrrolidine ring counterbalance with the presence of hydrophobic groups the lack of beta-phosphate. Two of the glycomimetics prepared reach inhibition in the micromolar scale.


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Inhibitors against Fungal Cell Wall-remodelling Enzymes.  
Posted February, 2018  

Fungal beta-1,3-glucan glucanosyltransferases are glucan-remodeling enzymes that play important roles in cell wall integrity, and are essential for the viability of pathogenic fungi/yeasts. A structure-guided design using a highly conserved transglycosylase from Sacharomyces cerevisiae led to carbohydrate derivatives with high affinity for Aspergillus fumigatus Gel4. Topological anayses seerved to identify main interactions.Link to full-size graphical abstract


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A small molecule inhibitis GalNAc-T2.  
Posted December, 2017  

A fruitful collaboration led to discover that small molecules are capable of inhibiting glycosyltransferases in sch a efficient way like complex bisubstrates. This study study provides a base of structure and kinetics for further optimization to develop more potent and specific selective inhibitor of ppGalNAc-T to explore site-specific O-GalNAc glycosylation and a new perspective for exploring the molecular mechanism of luteolin.

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A New Perspective to Study Organic Reactivity  
Posted April 2, 2017  
The reactivity of nitrones in cycloadditions and related reactions is revisited by introducing a topological perspective.

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Organocatalytic Oxa-Michael Reactions  
Posted March 3, 2017  
A collaboration with Prof. Vicario's research group at the University of Basque Country (Bilbao, Spain) showed that 2-hydroxydihydropyran-5-ones behave as excellent polyfunctional reagents able to react with enals through oxa-Michael/Michael process cascade under the combination of iminium and enamine catalysis.
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Inhibitors of Isoprenoid Biosynthesis  
Posted February 10, 2017  
A review. approaches currently employed to synthesize new inhibitors of isoprenoid biosynthesis.

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Highly Enantioselective Organocatalytic Reactions with Nitrone Ylides.  
Posted February 10, 2017  
A new publication from Vero's Ph.D. Thesis. Congratulations Vero!. The work made in collaboration with Prof. Vicario's research group at the University of Basque Country (Bilbao, Spain) established that reaction of nitrones with enals under iminium activation can be modulated by using cooperative H-bonding catalysis to induce the participation of a nitrone ylide (C-N-C) instead of the classical C-N-O dipole
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Evidences of Carbocation Intermediates in Thionation of Alcohols  
Posted February 10, 2017  
Evidences that carbocations are involved in the mechanism of the thionation of alcohols with Lawesson's reagent have been found. The mechanism is completely different to that recently established for thionation of carbonyls. The presence of a phenyl ring at the alcoholic carbon exerts a pivotal role in the stability of the carbocation, enabling an S-π interaction which is crucial for favoring thionation instead undesired elimination. The study is in a complete agreement with the different behavior observed experimentally for primary, secondary and tertiary alcohols (bearing a phenyl ring or not) and predict the best conditions for minimizing undesired elimination.
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